General Information of the Compound
Compound ID |
CP0539793
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Compound Name |
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
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Structure |
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Formula |
C31H30ClN7O2
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Molecular Weight |
568.081
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Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
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InChI |
InChI=1S/C31H30ClN7O2/c1-19-33-17-27(37(19)3)31(40,28-18-34-20(2)38(28)4)22-9-12-26-24(16-22)29(32)25(30(36-26)41-5)15-21-7-10-23(11-8-21)39-14-6-13-35-39/h6-14,16-18,40H,15H2,1-5H3
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InChIKey |
STCBIFUVWBDNPX-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound